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N- Propargylamines: versatile building blocks in the construction of thiazole cores

Beilstein journal of organic chemistry, 2017-03, Vol.13 (1), p.625-638

2017

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The effect of structural curvature on the cell voltage of BN nanotube based Na-ion batteries

Journal of molecular liquids, 2017-03, Vol.229, p.167-171

2017

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Na-ion batteries based on the inorganic BN nanocluster anodes: DFT studies

Journal of molecular graphics & modelling, 2017-06, Vol.74, p.1-7

2017

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A DFT study on graphene, SiC, BN, and AlN nanosheets as anodes in Na-ion batteries

Journal of molecular modeling, 2017-12, Vol.23 (12), p.354-7, Article 354

2017

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Domino carbometalation/coupling reactions of N-arylpropiolamides: a novel and promising synthetic strategy toward stereocontrolled preparation of highly substituted 3-methyleneindolinones

RSC advances, 2017-01, Vol.7 (31), p.1961-1972

2017

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A DFT study on the central-ring doped HBC nanographenes

Journal of molecular graphics & modelling, 2017-05, Vol.73, p.101-107

2017

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A Computational Study on the Purinethol Drug Adsorption on the AlN Nanocone and Nanocluster

Journal of cluster science, 2018-07, Vol.29 (4), p.767-775

2018

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Ammonia capture by MN4 (M = Fe and Ni) clusters embedded in graphene

Journal of coordination chemistry, 2018-11, Vol.71 (21), p.3476-3486

2018

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Interaction of α-Cyano-4-hydroxycinnamic Acid Drug with Inorganic BN Nanocluster: A Density Functional Study

Journal of inorganic and organometallic polymers and materials, 2018-07, Vol.28 (4), p.1422-1431

2018

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Aromatic stability energy studies on five-membered heterocyclic C4H4M (M = O, S, Se, Te, NH, PH, AsH and SbH): DFT calculations

Journal of structural chemistry, 2008-11, Vol.49 (6), p.979-985

Vessally, E.

2008

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The influence of the double-ring nanotubules diameter of B n (n = 14, 20, 24 and 32) on the electronic and structural properties due to lithium atom doping: quantum chemistry approach

Theoretical chemistry accounts, 2018-01, Vol.137 (1), p.1-11

2018

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Insight into electronic and structural properties of nLi@ B 20 ( n = 1 - 9 ) nanotubules: a computational study

Journal of chemical sciences (Bangalore, India), 2018-09, Vol.130 (9), p.1-12

2018

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Experimental and theoretical study on diethyl-(Z)-2-(5,7-diphenyl-1,3,4-oxadiazepin-2-yl)-2-butenedioate using different levels of computational methods

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-04, Vol.140, p.585-599

2015

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Aromatic Character Studies on Calicene and Its Derivatives Containing Heavier Atoms via Nuclear Independent Chemical Shifts (NICS)

Phosphorus, sulfur, and silicon and the related elements, 2010-01, Vol.185 (1), p.187-192

Vessally, E.

2010

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Chloropicrin sensor based on the pristine BN nanocones: DFT studies

Structural chemistry, 2018-04, Vol.29 (2), p.585-592

2018

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Experimental and theoretical studies of diethyl 2-(ter-butylimino)-2,5-dihydro-5-oxo-1-phenyl-1H-pyrrole-3,4-dicarboxylate using DFT calculations

Journal of structural chemistry, 2017-12, Vol.58 (7), p.1341-1349

2017

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On lithium doping in two stable nano-flakes of the B24: The double-ring versus the quasiplanar configuration

Journal of molecular graphics & modelling, 2018-01, Vol.79, p.213-222

2018

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One-pot synthesis, FT-IR, NMR and density functional method (B3LYP) studies on 2-(cyclohexylamino)-2-oxo-1-(pyridin-2-yl)ethyl benzoate

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2011-10, Vol.81 (1), p.64-71

2011

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Utility of extrinsic [60] fullerenes as work function type sensors for amphetamine drug detection: DFT studies

Vacuum, 2017-02, Vol.136, p.156-162

2017

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A Density functional theory study of the sensitivity of two-dimensional BN nanosheet to nerve agents cyclosarin and tabun

Thin solid films, 2017-02, Vol.623, p.157-163

2017

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DFT calculations on 1,4-dithiine and S-oxygenated derivatives

Bulletin of the Chemical Society of Ethiopia, 2008-12, Vol.22 (3), p.465-468

Vessally, E.

2008

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Singlet-triplet gap studies on aryl-cyclopentadienylidenes: indirect electronic effects

Bulletin of the Chemical Society of Ethiopia, 2010-01, Vol.24 (2), p.311-314

Vessally, E.

2010

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DFT calculations on 1-hetero-2,5-cyclohexadiene-1-oxide: molecular structure and stability

Bulletin of the Chemical Society of Ethiopia, 2010-01, Vol.24 (2), p.217-226

Vessally, E.

2010

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Steric effect studies on solar energy storage of norbornadiene-quadracyclane system: DFT calculations

Bulletin of the Chemical Society of Ethiopia, 2009-08, Vol.23 (2), p.303-308

Vessally, E

2009

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Singlet–triplet energy separations in divalent five-membered cyclic conjugated C5H3X, C4H3SiX, C4H3GeX, C4H3SnX, and C4H3PbX (X=H, F, Cl, and Br)

Journal of organometallic chemistry, 2005-07, Vol.690 (14), p.3427-3439

2005

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N- Propargylamines: versatile building blocks in the construction of thiazole cores

The effect of structural curvature on the cell voltage of BN nanotube based Na-ion batteries

Na-ion batteries based on the inorganic BN nanocluster anodes: DFT studies

A DFT study on graphene, SiC, BN, and AlN nanosheets as anodes in Na-ion batteries

Domino carbometalation/coupling reactions of N-arylpropiolamides: a novel and promising synthetic strategy toward stereocontrolled preparation of highly substituted 3-methyleneindolinones

A DFT study on the central-ring doped HBC nanographenes

A Computational Study on the Purinethol Drug Adsorption on the AlN Nanocone and Nanocluster

Ammonia capture by MN4 (M = Fe and Ni) clusters embedded in graphene

Interaction of α-Cyano-4-hydroxycinnamic Acid Drug with Inorganic BN Nanocluster: A Density Functional Study

Aromatic stability energy studies on five-membered heterocyclic C4H4M (M = O, S, Se, Te, NH, PH, AsH and SbH): DFT calculations

The influence of the double-ring nanotubules diameter of B n (n = 14, 20, 24 and 32) on the electronic and structural properties due to lithium atom doping: quantum chemistry approach

Insight into electronic and structural properties of nLi@ B 20 ( n = 1 - 9 ) nanotubules: a computational study

Experimental and theoretical study on diethyl-(Z)-2-(5,7-diphenyl-1,3,4-oxadiazepin-2-yl)-2-butenedioate using different levels of computational methods

Aromatic Character Studies on Calicene and Its Derivatives Containing Heavier Atoms via Nuclear Independent Chemical Shifts (NICS)

Chloropicrin sensor based on the pristine BN nanocones: DFT studies

Experimental and theoretical studies of diethyl 2-(ter-butylimino)-2,5-dihydro-5-oxo-1-phenyl-1H-pyrrole-3,4-dicarboxylate using DFT calculations

On lithium doping in two stable nano-flakes of the B24: The double-ring versus the quasiplanar configuration

One-pot synthesis, FT-IR, NMR and density functional method (B3LYP) studies on 2-(cyclohexylamino)-2-oxo-1-(pyridin-2-yl)ethyl benzoate

Utility of extrinsic [60] fullerenes as work function type sensors for amphetamine drug detection: DFT studies

A Density functional theory study of the sensitivity of two-dimensional BN nanosheet to nerve agents cyclosarin and tabun

DFT calculations on 1,4-dithiine and S-oxygenated derivatives

Singlet-triplet gap studies on aryl-cyclopentadienylidenes: indirect electronic effects

DFT calculations on 1-hetero-2,5-cyclohexadiene-1-oxide: molecular structure and stability

Steric effect studies on solar energy storage of norbornadiene-quadracyclane system: DFT calculations

Singlet–triplet energy separations in divalent five-membered cyclic conjugated C5H3X, C4H3SiX, C4H3GeX, C4H3SnX, and C4H3PbX (X=H, F, Cl, and Br)

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